2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide

C17H14N2O4 — CID 45483665

IUPAC2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide
SMILESNC(=O)Cc1cc(=O)oc2cc(OCc3cccnc3)ccc12
InChIInChI=1S/C17H14N2O4/c18-16(20)6-12-7-17(21)23-15-8-13(3-4-14(12)15)22-10-11-2-1-5-19-9-11/h1-5,7-9H,6,10H2,(H2,18,20)
InChIKeyAIUTXEVMOYTOEJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide

2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide (PubChem CID 45483665) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide
PubChem CID45483665
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide
SMILESNC(=O)Cc1cc(=O)oc2cc(OCc3cccnc3)ccc12
InChIInChI=1S/C17H14N2O4/c18-16(20)6-12-7-17(21)23-15-8-13(3-4-14(12)15)22-10-11-2-1-5-19-9-11/h1-5,7-9H,6,10H2,(H2,18,20)
InChIKeyAIUTXEVMOYTOEJ-UHFFFAOYSA-N
XLogP1.79
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide?
The IUPAC name of 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide (CID 45483665) is 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide?
The canonical SMILES for 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide is NC(=O)Cc1cc(=O)oc2cc(OCc3cccnc3)ccc12.
What is the InChIKey of 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide?
The InChIKey is AIUTXEVMOYTOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c18-16(20)6-12-7-17(21)23-15-8-13(3-4-14(12)15)22-10-11-2-1-5-19-9-11/h1-5,7-9H,6,10H2,(H2,18,20).
What are the key properties of 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide?
2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-7-(pyridin-3-ylmethoxy)chromen-4-yl]acetamide is sourced from PubChem (CID 45483665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).